SCHEMBL16843077

SCHEMBL16843077

O=C(O)c1ccc(C#CC#C[C@H]2CC[C@@H]2CO)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ RARB P10826 2/20 0.38
▸ RARG P13631 2/20 0.38
▸ PTPN11 Q06124 1/20 0.36
▸ CYP26A1 O43174 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ RARA P10276 1/20 0.35
▸ CRABP2 P29373 1/20 0.35
▸ FFAR1 O14842 3/20 0.34
▸ ACACB O00763 1/20 0.34
▸ MMP13 P45452 1/20 0.34
▸ TP53 P04637 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ HCAR2 Q8TDS4 1/20 0.33
▸ GRM5 P41594 2/20 0.33
▸ FFAR4 Q5NUL3 2/20 0.33
▸ MMP2 P08253 2/20 0.33
▸ MMP12 P39900 2/20 0.33
▸ MMP9 P14780 1/20 0.32
▸ KMT2A Q03164 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13831258 0.87 RARB (0.39) RARBRARGPTPN11CYP26A1CYP3A4
SCHEMBL13738163 0.87 RARB (0.39) RARBRARGPTPN11CYP26A1CYP3A4
SCHEMBL17451854 0.87 RARB (0.39) RARBRARGPTPN11CYP26A1CYP3A4
SCHEMBL13737615 0.87 RARB (0.39) RARBRARGPTPN11CYP26A1CYP3A4
SCHEMBL13738717 0.87 RARB (0.39) RARBRARGPTPN11CYP26A1CYP3A4
SCHEMBL31303689 0.87 RARB (0.39) RARBRARGPTPN11CYP26A1CYP3A4
SCHEMBL31303687 0.87 RARB (0.39) RARBRARGPTPN11CYP26A1CYP3A4
SCHEMBL16843164 0.84 PTPN11 (0.41) PTPN11KMT2A
SCHEMBL16843078 0.80 RARB (0.37) RARBRARGPTPN11CYP26A1CYP3A4
SCHEMBL16840435 0.80 RARB (0.37) RARBRARGPTPN11CYP26A1CYP3A4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150175530-A1 ANTIBACTERIAL AGENTS ACHAOGEN, INC. 2015-06-25 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20150175530-A1 ANTIBACTERIAL AGENTS MRPL21, ABCB11, LSS RARB 1720/4885RARG 2107/4885PTPN11 3775/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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